Home Other Building Blocks 3-methyl-3-phenylpyrrolidin-2-one

3-methyl-3-phenylpyrrolidin-2-one

CAS No.:
51439-71-5
Catalog Number:
AG01AG93
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
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Product Description
Catalog Number:
AG01AG93
Chemical Name:
3-methyl-3-phenylpyrrolidin-2-one
CAS Number:
51439-71-5
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD24552174
IUPAC Name:
3-methyl-3-phenylpyrrolidin-2-one
InChI:
InChI=1S/C11H13NO/c1-11(7-8-12-10(11)13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChI Key:
XRQJWKFRIKOBPH-UHFFFAOYSA-N
SMILES:
O=C1NCCC1(C)c1ccccc1
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties